UCSF

ZINC37840928

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.21 3.77 -45.23 2 6 1 70 301.436 6
Hi High (pH 8-9.5) 1.21 1.64 -9.75 1 6 0 69 300.428 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )